2-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1S)-1-(4-acetyl-1-piperazin-1-iumyl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)[NH+]3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)[NH+]3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C16H22N4O2S/c1-9-11(3)23-16-13(9)15(22)17-14(18-16)10(2)19-5-7-20(8-6-19)12(4)21/h10H,5-8H2,1-4H3,(H,17,18,22)/p+1/t10-/m0/s1